6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine

C15H16N2O — CID 135072927

IUPAC6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c2c(n1)N(c1ccccc1)CC2
InChIInChI=1S/C15H16N2O/c1-11-10-14(18-2)16-15-13(11)8-9-17(15)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyALGYUVAFHVUNAM-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.09
Rot. Bonds2

About 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine

6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 135072927) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID135072927
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCOc1cc(C)c2c(n1)N(c1ccccc1)CC2
InChIInChI=1S/C15H16N2O/c1-11-10-14(18-2)16-15-13(11)8-9-17(15)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyALGYUVAFHVUNAM-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 135072927) is 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine is COc1cc(C)c2c(n1)N(c1ccccc1)CC2.
What is the InChIKey of 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is ALGYUVAFHVUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-10-14(18-2)16-15-13(11)8-9-17(15)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine?
6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 240.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135072927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).